9Z2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.19Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C | sing | 1.51Å | 1.49Å | |
| C | N | sing | 1.35Å | 1.32Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
| C5 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| N | C3 | sing | 1.40Å | 1.35Å | |
| N1 | C10 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C9 | sing | 1.33Å | 1.36Å | Aromatic |
| C3 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.48Å | 1.48Å | |
| C8 | C7 | doub | 1.39Å | 1.37Å | Aromatic |
| C9 | N2 | doub | 1.33Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| N2 | C12 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C1 | 116.7° | 120.1° |
| O | C | N | 123.9° | 120.0° |
| C2 | C1 | C | 107.6° | 109.4° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.4° | 109.5° |
| C2 | C1 | H7 | 109.9° | 109.5° |
| C2 | C1 | H8 | 109.9° | 109.5° |
| C1 | C | N | 119.3° | 119.9° |
| C | C1 | H7 | 109.9° | 109.5° |
| C | C1 | H8 | 109.9° | 109.5° |
| C | N | C3 | 126.0° | 120.0° |
| C | N | H9 | 117.0° | 120.1° |
| C5 | C4 | C3 | 120.5° | 120.0° |
| C4 | C5 | C8 | 117.5° | 119.9° |
| C5 | C4 | H4 | 119.8° | 120.0° |
| C4 | C5 | H5 | 121.2° | 120.1° |
| C4 | C3 | N | 127.9° | 119.9° |
| C4 | C3 | C6 | 120.2° | 120.1° |
| C3 | C4 | H4 | 119.8° | 120.0° |
| C5 | C8 | C9 | 127.1° | 120.0° |
| C5 | C8 | C7 | 120.8° | 119.9° |
| C8 | C5 | H5 | 121.2° | 120.0° |
| N | C3 | C6 | 111.9° | 120.0° |
| C3 | N | H9 | 117.0° | 120.0° |
| C10 | N1 | C9 | 119.9° | 120.7° |
| N1 | C10 | C11 | 120.0° | 119.3° |
| N1 | C10 | H13 | 120.0° | 120.4° |
| N1 | C9 | C8 | 123.2° | 119.2° |
| N1 | C9 | N2 | 121.2° | 121.6° |
| C3 | C6 | C7 | 118.6° | 120.1° |
| C3 | C6 | H6 | 120.7° | 120.0° |
| C10 | C11 | C12 | 119.5° | 118.5° |
| C10 | C11 | H12 | 120.2° | 120.8° |
| C11 | C10 | H13 | 120.0° | 120.4° |
| C9 | C8 | C7 | 112.2° | 120.0° |
| C8 | C9 | N2 | 115.6° | 119.2° |
| C8 | C7 | C6 | 122.4° | 119.9° |
| C8 | C7 | H10 | 118.8° | 120.0° |
| C9 | N2 | C12 | 121.4° | 120.7° |
| C7 | C6 | H6 | 120.7° | 119.9° |
| C6 | C7 | H10 | 118.8° | 120.1° |
| C11 | C12 | N2 | 118.0° | 119.2° |
| C11 | C12 | H11 | 121.0° | 120.4° |
| C12 | C11 | H12 | 120.3° | 120.7° |
| N2 | C12 | H11 | 121.0° | 120.4° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.4° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C1 | C2 | 142.5° | 0.0° |
| O | C | C1 | N | 178.5° | 180.0° |
| O | C | N | C3 | 0.4° | 4.6° |
| O | C | C1 | H7 | 22.8° | 120.0° |
| O | C | C1 | H8 | 97.8° | 120.0° |
| O | C | N | H9 | 179.6° | 175.4° |
| C2 | C1 | C | H7 | 119.7° | 120.0° |
| C2 | C1 | C | H8 | 119.7° | 120.0° |
| C2 | C1 | C | N | 36.0° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.1° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 119.9° | 120.1° |
| C2 | C1 | H7 | H8 | 120.9° | 120.0° |
| C1 | C | N | C3 | 178.8° | 175.4° |
| C | C1 | C2 | H1 | 180.0° | 60.0° |
| C | C1 | C2 | H2 | 60.0° | 60.0° |
| C | C1 | C2 | H3 | 60.0° | 179.9° |
| C | C1 | H7 | H8 | 120.9° | 120.0° |
| C1 | C | N | H9 | 1.2° | 4.7° |
| C | N | C3 | C4 | 0.4° | 35.1° |
| C | N | C3 | H9 | 180.0° | 180.0° |
| C | N | C3 | C6 | 179.7° | 144.9° |
| N | C | C1 | H7 | 155.7° | 60.0° |
| N | C | C1 | H8 | 83.7° | 60.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.7° |
| C4 | C5 | C8 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | N | 179.9° | 180.0° |
| C5 | C4 | C3 | C6 | 0.2° | 0.0° |
| C4 | C5 | C8 | C9 | 178.6° | 180.0° |
| C4 | C5 | C8 | C7 | 0.4° | 0.0° |
| C3 | C4 | C5 | C8 | 0.5° | 0.1° |
| C4 | C3 | N | C6 | 179.9° | 180.0° |
| C4 | C3 | C6 | C7 | 0.9° | 0.1° |
| C3 | C4 | C5 | H5 | 179.5° | 180.0° |
| C4 | C3 | C6 | H6 | 179.1° | 180.0° |
| C4 | C3 | N | H9 | 179.6° | 144.9° |
| C5 | C8 | C9 | N1 | 18.3° | 179.9° |
| C5 | C8 | C9 | C7 | 179.1° | 180.0° |
| C5 | C8 | C9 | N2 | 159.6° | 0.0° |
| C5 | C8 | C7 | C6 | 0.4° | 0.0° |
| C8 | C5 | C4 | H4 | 179.5° | 179.7° |
| C5 | C8 | C7 | H10 | 179.6° | 180.0° |
| N | C3 | C6 | C7 | 179.2° | 179.9° |
| N | C3 | C4 | H4 | 0.1° | 0.2° |
| N | C3 | C6 | H6 | 0.8° | 0.0° |
| N1 | C10 | C11 | H13 | 180.0° | 180.0° |
| C10 | N1 | C9 | C8 | 179.8° | 180.0° |
| C10 | N1 | C9 | N2 | 2.4° | 0.0° |
| N1 | C10 | C11 | C12 | 0.4° | 0.0° |
| N1 | C10 | C11 | H12 | 179.6° | 180.0° |
| C9 | N1 | C10 | C11 | 1.6° | 0.0° |
| N1 | C9 | C8 | N2 | 177.9° | 180.0° |
| N1 | C9 | C8 | C7 | 162.6° | 0.0° |
| N1 | C9 | N2 | C12 | 2.1° | 0.0° |
| C9 | N1 | C10 | H13 | 178.4° | 179.9° |
| C3 | C6 | C7 | C8 | 1.1° | 0.1° |
| C3 | C6 | C7 | H6 | 180.0° | 179.9° |
| C6 | C3 | C4 | H4 | 179.8° | 179.7° |
| C6 | C3 | N | H9 | 0.3° | 35.1° |
| C3 | C6 | C7 | H10 | 178.9° | 180.0° |
| C10 | C11 | C12 | H12 | 180.0° | 179.9° |
| C10 | C11 | C12 | N2 | 0.0° | 0.0° |
| C10 | C11 | C12 | H11 | 179.9° | 180.0° |
| C9 | C8 | C7 | C6 | 179.6° | 179.9° |
| C8 | C9 | N2 | C12 | 180.0° | 180.0° |
| C9 | C8 | C5 | H5 | 1.4° | 0.1° |
| C9 | C8 | C7 | H10 | 0.4° | 0.0° |
| C7 | C8 | C9 | N2 | 19.5° | 180.0° |
| C8 | C7 | C6 | H10 | 180.0° | 179.9° |
| C7 | C8 | C5 | H5 | 179.6° | 180.0° |
| C8 | C7 | C6 | H6 | 178.9° | 180.0° |
| C9 | N2 | C12 | C11 | 0.9° | 0.0° |
| C9 | N2 | C12 | H11 | 179.1° | 180.0° |
| C11 | C12 | N2 | H11 | 180.0° | 180.0° |
| C12 | C11 | C10 | H13 | 179.6° | 179.9° |
| N2 | C12 | C11 | H12 | 180.0° | 179.9° |
| H1 | C2 | H2 | H3 | 120.0° | 119.9° |
| H1 | C2 | C1 | H7 | 60.3° | 59.9° |
| H1 | C2 | C1 | H8 | 60.3° | 180.0° |
| H2 | C2 | C1 | H7 | 59.7° | 180.0° |
| H2 | C2 | C1 | H8 | 179.7° | 60.0° |
| H3 | C2 | C1 | H7 | 179.7° | 60.0° |
| H3 | C2 | C1 | H8 | 59.7° | 60.1° |
| H4 | C4 | C5 | H5 | 0.5° | 0.2° |
| H6 | C6 | C7 | H10 | 1.1° | 0.1° |
| H11 | C12 | C11 | H12 | 0.1° | 0.0° |
| H12 | C11 | C10 | H13 | 0.4° | 0.0° |
